DRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C21 | sing | 1.43Å | 1.46Å | |
| O24 | C23 | sing | 1.43Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | N19 | sing | 1.47Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | N19 | sing | 1.47Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| N19 | C18 | sing | 1.47Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.57Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C17 | N16 | sing | 1.46Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| N16 | C15 | sing | 1.35Å | 1.34Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C15 | O15 | doub | 1.21Å | 1.23Å | |
| C15 | C4 | sing | 1.47Å | 1.53Å | |
| N9 | C9 | sing | 1.38Å | 1.35Å | |
| N9 | HN91 | sing | 0.97Å | 1.02Å | |
| N9 | HN92 | sing | 0.97Å | 1.02Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C1 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.42Å | 1.45Å | Aromatic |
| C11 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| C9 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.44Å | Aromatic |
| C13 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | N10 | doub | 1.33Å | 1.31Å | Aromatic |
| C14 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C5 | HC5 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O24 | C23 | 115.8° | 107.2° |
| O24 | C21 | C20 | 111.4° | 109.7° |
| O24 | C21 | H211 | 111.5° | 109.5° |
| O24 | C21 | H212 | 111.5° | 109.4° |
| O24 | C23 | C22 | 110.7° | 109.7° |
| O24 | C23 | H231 | 111.7° | 109.4° |
| O24 | C23 | H232 | 111.7° | 109.4° |
| C21 | C20 | N19 | 111.3° | 109.6° |
| C21 | C20 | H201 | 111.5° | 109.5° |
| C21 | C20 | H202 | 111.5° | 109.5° |
| C20 | C21 | H211 | 111.5° | 109.5° |
| C20 | C21 | H212 | 111.5° | 109.4° |
| N19 | C20 | H201 | 111.5° | 109.4° |
| N19 | C20 | H202 | 111.5° | 109.4° |
| C20 | N19 | C22 | 113.8° | 106.7° |
| C20 | N19 | C18 | 114.0° | 106.8° |
| H201 | C20 | H202 | 98.9° | 109.4° |
| H211 | C21 | H212 | 98.9° | 109.4° |
| C23 | C22 | N19 | 111.1° | 109.5° |
| C23 | C22 | H221 | 111.6° | 109.5° |
| C23 | C22 | H222 | 111.6° | 109.5° |
| C22 | C23 | H231 | 111.8° | 109.4° |
| C22 | C23 | H232 | 111.7° | 109.5° |
| N19 | C22 | H221 | 111.6° | 109.5° |
| N19 | C22 | H222 | 111.6° | 109.4° |
| C22 | N19 | C18 | 113.1° | 106.7° |
| H221 | C22 | H222 | 98.7° | 109.5° |
| H231 | C23 | H232 | 98.6° | 109.4° |
| N19 | C18 | C17 | 115.8° | 109.6° |
| N19 | C18 | H181 | 109.9° | 109.5° |
| N19 | C18 | H182 | 109.9° | 109.5° |
| C17 | C18 | H181 | 109.9° | 109.5° |
| C17 | C18 | H182 | 109.9° | 109.4° |
| C18 | C17 | N16 | 109.6° | 109.5° |
| C18 | C17 | H171 | 112.1° | 109.5° |
| C18 | C17 | H172 | 112.1° | 109.4° |
| H181 | C18 | H182 | 100.3° | 109.4° |
| N16 | C17 | H171 | 112.2° | 109.5° |
| N16 | C17 | H172 | 112.2° | 109.5° |
| C17 | N16 | C15 | 121.9° | 120.0° |
| C17 | N16 | H16 | 124.6° | 120.0° |
| H171 | C17 | H172 | 98.3° | 109.5° |
| C15 | N16 | H16 | 113.5° | 120.0° |
| N16 | C15 | O15 | 114.0° | 120.0° |
| N16 | C15 | C4 | 124.6° | 119.9° |
| O15 | C15 | C4 | 121.4° | 120.1° |
| C15 | C4 | C3 | 119.0° | 120.7° |
| C15 | C4 | C12 | 121.5° | 120.6° |
| C9 | N9 | HN91 | 108.1° | 120.0° |
| C9 | N9 | HN92 | 121.0° | 120.0° |
| N9 | C9 | C11 | 121.0° | 121.2° |
| N9 | C9 | C13 | 120.4° | 121.1° |
| HN91 | N9 | HN92 | 108.1° | 120.0° |
| C3 | C4 | C12 | 119.4° | 118.8° |
| C4 | C3 | C2 | 121.1° | 120.7° |
| C4 | C3 | HC3 | 120.0° | 119.7° |
| C4 | C12 | C11 | 119.5° | 118.3° |
| C4 | C12 | N10 | 119.3° | 120.7° |
| C2 | C3 | HC3 | 118.9° | 119.6° |
| C3 | C2 | C1 | 120.5° | 121.7° |
| C3 | C2 | HC2 | 119.8° | 119.1° |
| C1 | C2 | HC2 | 119.6° | 119.1° |
| C2 | C1 | C11 | 121.6° | 120.7° |
| C2 | C1 | HC1 | 118.1° | 119.7° |
| C11 | C1 | HC1 | 120.4° | 119.6° |
| C1 | C11 | C12 | 117.8° | 119.8° |
| C1 | C11 | C9 | 124.6° | 120.9° |
| C12 | C11 | C9 | 117.6° | 119.3° |
| C11 | C12 | N10 | 121.1° | 121.0° |
| C11 | C9 | C13 | 118.5° | 117.7° |
| C12 | N10 | C14 | 123.1° | 121.9° |
| C9 | C13 | C14 | 118.5° | 119.5° |
| C9 | C13 | C8 | 124.1° | 120.9° |
| C14 | C13 | C8 | 117.1° | 119.6° |
| C13 | C14 | N10 | 121.1° | 120.6° |
| C13 | C14 | C5 | 120.4° | 118.9° |
| C13 | C8 | C7 | 121.0° | 119.7° |
| C13 | C8 | HC8 | 120.5° | 120.1° |
| N10 | C14 | C5 | 118.4° | 120.4° |
| C14 | C5 | C6 | 120.1° | 119.8° |
| C14 | C5 | HC5 | 120.0° | 120.1° |
| C7 | C8 | HC8 | 118.5° | 120.2° |
| C8 | C7 | C6 | 120.4° | 120.8° |
| C8 | C7 | HC7 | 119.7° | 119.6° |
| C6 | C7 | HC7 | 119.9° | 119.6° |
| C7 | C6 | C5 | 120.2° | 121.1° |
| C7 | C6 | HC6 | 119.9° | 119.4° |
| C5 | C6 | HC6 | 119.9° | 119.5° |
| C6 | C5 | HC5 | 119.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C21 | C20 | H211 | 125.3° | 120.2° |
| O24 | C21 | C20 | H212 | 125.2° | 120.0° |
| O24 | C21 | C20 | N19 | 31.6° | 62.8° |
| O24 | C21 | C20 | H201 | 93.7° | 57.2° |
| O24 | C21 | C20 | H202 | 156.8° | 177.2° |
| O24 | C21 | H211 | H212 | 117.4° | 119.9° |
| C21 | O24 | C23 | C22 | 64.2° | 63.1° |
| C21 | O24 | C23 | H231 | 170.5° | 176.8° |
| C21 | O24 | C23 | H232 | 61.1° | 57.0° |
| C23 | O24 | C21 | C20 | 27.8° | 63.1° |
| C23 | O24 | C21 | H211 | 97.4° | 176.8° |
| C23 | O24 | C21 | H212 | 153.1° | 56.9° |
| O24 | C23 | C22 | H231 | 125.3° | 120.1° |
| O24 | C23 | C22 | H232 | 125.3° | 120.1° |
| O24 | C23 | C22 | N19 | 35.2° | 62.8° |
| O24 | C23 | C22 | H221 | 90.1° | 177.1° |
| O24 | C23 | C22 | H222 | 160.5° | 57.1° |
| O24 | C23 | H231 | H232 | 117.6° | 119.8° |
| C21 | C20 | N19 | H201 | 125.3° | 120.1° |
| C21 | C20 | N19 | H202 | 125.3° | 120.1° |
| C21 | C20 | H201 | H202 | 117.4° | 120.0° |
| C20 | C21 | H211 | H212 | 117.4° | 119.8° |
| C21 | C20 | N19 | C22 | 57.7° | 59.2° |
| C21 | C20 | N19 | C18 | 170.5° | 173.0° |
| N19 | C20 | H201 | H202 | 117.4° | 119.9° |
| N19 | C20 | C21 | H211 | 156.8° | 177.0° |
| N19 | C20 | C21 | H212 | 93.7° | 57.2° |
| C20 | N19 | C22 | C23 | 22.5° | 59.2° |
| C20 | N19 | C22 | C18 | 132.2° | 113.9° |
| C20 | N19 | C22 | H221 | 147.8° | 179.3° |
| C20 | N19 | C22 | H222 | 102.8° | 60.8° |
| C20 | N19 | C18 | C17 | 57.4° | 180.0° |
| C20 | N19 | C18 | H181 | 177.4° | 59.9° |
| C20 | N19 | C18 | H182 | 67.9° | 60.0° |
| H201 | C20 | C21 | H211 | 31.6° | 62.9° |
| H201 | C20 | C21 | H212 | 141.1° | 177.2° |
| H201 | C20 | N19 | C22 | 67.5° | 60.8° |
| H201 | C20 | N19 | C18 | 64.2° | 52.9° |
| H202 | C20 | C21 | H211 | 77.9° | 57.0° |
| H202 | C20 | C21 | H212 | 31.6° | 62.8° |
| H202 | C20 | N19 | C22 | 177.0° | 179.3° |
| H202 | C20 | N19 | C18 | 45.2° | 66.9° |
| C23 | C22 | N19 | H221 | 125.3° | 120.0° |
| C23 | C22 | N19 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 117.5° | 120.0° |
| C22 | C23 | H231 | H232 | 117.6° | 119.9° |
| C23 | C22 | N19 | C18 | 154.7° | 173.1° |
| N19 | C22 | H221 | H222 | 117.5° | 119.9° |
| N19 | C22 | C23 | H231 | 160.5° | 177.1° |
| N19 | C22 | C23 | H232 | 90.1° | 57.2° |
| C22 | N19 | C18 | C17 | 170.6° | 66.2° |
| C22 | N19 | C18 | H181 | 45.3° | 53.8° |
| C22 | N19 | C18 | H182 | 64.2° | 173.8° |
| H221 | C22 | C23 | H231 | 35.2° | 57.0° |
| H221 | C22 | C23 | H232 | 144.6° | 62.8° |
| H221 | C22 | N19 | C18 | 80.1° | 66.9° |
| H222 | C22 | C23 | H231 | 74.2° | 63.0° |
| H222 | C22 | C23 | H232 | 35.2° | 177.2° |
| H222 | C22 | N19 | C18 | 29.4° | 53.1° |
| N19 | C18 | C17 | H181 | 125.3° | 120.1° |
| N19 | C18 | C17 | H182 | 125.3° | 120.0° |
| N19 | C18 | H181 | H182 | 115.7° | 120.0° |
| N19 | C18 | C17 | N16 | 74.4° | 180.0° |
| N19 | C18 | C17 | H171 | 160.3° | 60.0° |
| N19 | C18 | C17 | H172 | 50.8° | 60.0° |
| C17 | C18 | H181 | H182 | 115.7° | 119.9° |
| C18 | C17 | N16 | H171 | 125.2° | 120.0° |
| C18 | C17 | N16 | H172 | 125.2° | 120.0° |
| C18 | C17 | H171 | H172 | 118.1° | 119.9° |
| C18 | C17 | N16 | C15 | 118.7° | 180.0° |
| C18 | C17 | N16 | H16 | 61.3° | 0.0° |
| H181 | C18 | C17 | N16 | 50.8° | 60.0° |
| H181 | C18 | C17 | H171 | 74.4° | 180.0° |
| H181 | C18 | C17 | H172 | 176.1° | 60.1° |
| H182 | C18 | C17 | N16 | 160.3° | 60.0° |
| H182 | C18 | C17 | H171 | 35.0° | 60.0° |
| H182 | C18 | C17 | H172 | 74.5° | 180.0° |
| N16 | C17 | H171 | H172 | 118.1° | 120.0° |
| C17 | N16 | C15 | H16 | 180.0° | 180.0° |
| C17 | N16 | C15 | O15 | 6.5° | 0.0° |
| C17 | N16 | C15 | C4 | 176.0° | 180.0° |
| H171 | C17 | N16 | C15 | 116.1° | 60.0° |
| H171 | C17 | N16 | H16 | 63.9° | 120.0° |
| H172 | C17 | N16 | C15 | 6.6° | 60.0° |
| H172 | C17 | N16 | H16 | 173.5° | 119.9° |
| N16 | C15 | O15 | C4 | 177.6° | 180.0° |
| N16 | C15 | C4 | C3 | 4.0° | 0.1° |
| N16 | C15 | C4 | C12 | 175.3° | 180.0° |
| H16 | N16 | C15 | O15 | 173.5° | 180.0° |
| H16 | N16 | C15 | C4 | 3.9° | 0.0° |
| O15 | C15 | C4 | C3 | 178.7° | 179.9° |
| O15 | C15 | C4 | C12 | 2.1° | 0.0° |
| C15 | C4 | C3 | C12 | 179.2° | 179.9° |
| C15 | C4 | C3 | C2 | 179.8° | 179.9° |
| C15 | C4 | C3 | HC3 | 0.2° | 0.0° |
| C15 | C4 | C12 | C11 | 179.9° | 179.9° |
| C15 | C4 | C12 | N10 | 0.4° | 0.0° |
| C9 | N9 | HN91 | HN92 | 132.6° | 179.7° |
| N9 | C9 | C11 | C1 | 0.4° | 0.4° |
| N9 | C9 | C11 | C12 | 178.5° | 179.8° |
| N9 | C9 | C11 | C13 | 176.9° | 179.8° |
| N9 | C9 | C13 | C14 | 179.0° | 180.0° |
| N9 | C9 | C13 | C8 | 6.5° | 0.1° |
| HN91 | N9 | C9 | C11 | 54.7° | 179.8° |
| HN91 | N9 | C9 | C13 | 122.1° | 0.0° |
| HN92 | N9 | C9 | C11 | 180.0° | 0.5° |
| HN92 | N9 | C9 | C13 | 3.2° | 179.7° |
| C4 | C3 | C2 | HC3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | HC2 | 179.7° | 180.0° |
| C3 | C4 | C12 | C11 | 0.7° | 0.2° |
| C3 | C4 | C12 | N10 | 178.8° | 180.0° |
| C12 | C4 | C3 | C2 | 1.0° | 0.0° |
| C12 | C4 | C3 | HC3 | 179.0° | 179.9° |
| C4 | C12 | C11 | C1 | 0.3° | 0.4° |
| C4 | C12 | C11 | N10 | 179.5° | 179.8° |
| C4 | C12 | C11 | C9 | 179.3° | 179.8° |
| C4 | C12 | N10 | C14 | 179.1° | 180.0° |
| C3 | C2 | C1 | HC2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 0.7° | 0.2° |
| C3 | C2 | C1 | HC1 | 179.3° | 180.0° |
| HC3 | C3 | C2 | C1 | 179.7° | 179.9° |
| HC3 | C3 | C2 | HC2 | 0.3° | 0.1° |
| C2 | C1 | C11 | HC1 | 180.0° | 179.8° |
| C2 | C1 | C11 | C12 | 1.0° | 0.4° |
| C2 | C1 | C11 | C9 | 179.9° | 179.8° |
| HC2 | C2 | C1 | C11 | 179.3° | 179.8° |
| HC2 | C2 | C1 | HC1 | 0.7° | 0.0° |
| C1 | C11 | C12 | C9 | 179.0° | 179.4° |
| C1 | C11 | C12 | N10 | 179.8° | 179.8° |
| C1 | C11 | C9 | C13 | 177.3° | 179.8° |
| HC1 | C1 | C11 | C12 | 179.0° | 179.9° |
| HC1 | C1 | C11 | C9 | 0.1° | 0.5° |
| C12 | C11 | C9 | C13 | 1.6° | 0.4° |
| C11 | C12 | N10 | C14 | 1.5° | 0.2° |
| C9 | C11 | C12 | N10 | 1.3° | 0.4° |
| C11 | C9 | C13 | C14 | 4.1° | 0.2° |
| C11 | C9 | C13 | C8 | 176.6° | 179.8° |
| C12 | N10 | C14 | C13 | 1.2° | 0.0° |
| C12 | N10 | C14 | C5 | 176.6° | 180.0° |
| C9 | C13 | C14 | C8 | 173.0° | 180.0° |
| C9 | C13 | C14 | N10 | 4.1° | 0.0° |
| C9 | C13 | C14 | C5 | 179.3° | 180.0° |
| C9 | C13 | C8 | C7 | 179.5° | 180.0° |
| C9 | C13 | C8 | HC8 | 0.5° | 0.0° |
| C13 | C14 | N10 | C5 | 175.3° | 180.0° |
| C14 | C13 | C8 | C7 | 7.9° | 0.0° |
| C14 | C13 | C8 | HC8 | 172.1° | 180.0° |
| C13 | C14 | C5 | C6 | 6.8° | 0.0° |
| C13 | C14 | C5 | HC5 | 173.2° | 179.9° |
| C8 | C13 | C14 | N10 | 177.1° | 179.9° |
| C8 | C13 | C14 | C5 | 7.7° | 0.0° |
| C13 | C8 | C7 | HC8 | 180.0° | 179.9° |
| C13 | C8 | C7 | C6 | 7.2° | 0.0° |
| C13 | C8 | C7 | HC7 | 172.8° | 179.9° |
| N10 | C14 | C5 | C6 | 177.9° | 180.0° |
| N10 | C14 | C5 | HC5 | 2.1° | 0.1° |
| C14 | C5 | C6 | C7 | 5.8° | 0.0° |
| C14 | C5 | C6 | HC5 | 180.0° | 179.9° |
| C14 | C5 | C6 | HC6 | 174.2° | 180.0° |
| C8 | C7 | C6 | HC7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 6.0° | 0.0° |
| C8 | C7 | C6 | HC6 | 174.0° | 180.0° |
| HC8 | C8 | C7 | C6 | 172.8° | 180.0° |
| HC8 | C8 | C7 | HC7 | 7.2° | 0.1° |
| C7 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C7 | C6 | C5 | HC5 | 174.2° | 179.9° |
| HC7 | C7 | C6 | C5 | 174.0° | 179.9° |
| HC7 | C7 | C6 | HC6 | 6.0° | 0.1° |
| HC6 | C6 | C5 | HC5 | 5.8° | 0.1° |
